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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 1st May 2017 to 15 June 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 1
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
yes
Remarks:
The maximum concentration is the n-octanol phase is higher than 0.01 mole/L due to the analytical method limit of quantification. This deviation doesn't affect the quality or the results of the study.
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
yes
Remarks:
The maximum concentration is the n-octanol phase is higher than 0.01 mole/L due to the analytical method limit of quantification. This deviation doesn't affect the quality or the results of the study
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
- Analytical purity: 99.9%w/w
- Impurities (identity and concentrations): organic impurities 0.1% w/w
- Purity test date: 24 February 2017
- Lot/batch No.: BLT 0816
- Expiration date of the lot/batch: October 2022
Analytical method:
gas chromatography
Type:
log Pow
Partition coefficient:
2.37
Temp.:
20 °C
Remarks on result:
other: No measurement of pH
Remarks:
Volumic ratio of octanol/water: 1/1
Type:
log Pow
Partition coefficient:
2.55
Temp.:
20 °C
Remarks on result:
other: No measurement of pH
Remarks:
Volumic ratio of octanol/water: 2/1
Type:
log Pow
Partition coefficient:
> 2.33 - < 2.35
Temp.:
20 °C
Remarks on result:
other: no measurement of pH
Remarks:
Volumic ratio of octanol/water: 1/2
Conclusions:
The partition coefficient of the test item is 268 at 20°C.
The log Pow of the test item is 2.42 at 20°C.
Executive summary:

The partition coefficient was determined with the shake flask method according to recognised guidelines (EU Method A.8, OECD 107). A deviation from the guidelines was observed during the test. The maximum concentration is the n-octanol phase is higher than 0.01 mole/L due to the analytical method limit of quantification. This deviation doesn't affect the quality or the results of the study.

Before the test, water was saturated in n-octanol and n-octanol was saturated with water.

Due to the test item nature (gaseous), a specific high pressure cell was needed to perform the test. The cell was filled with a mixture of water and octanol and thermostated at 20°C. The test item is then loaded into the cell in liquid form. Stirring was activated to ensure the solubilisation of test item in octanol.

The log Pow of the test item was calculated based on the test item concentration (in n-octanol and water) determined in three assays.

The partition coefficient of the test item is 268 at 20°C.

The log Pow of the test item is 2.42 at 20°C.

Description of key information

The test item partition coefficient was determined with a key study (validity one). This study was performed with the shake flask method according to recognised guidelines (EU Method A.8, OECD 107).

A deviation from the guidelines was observed during the test. The maximum concentration is the n-octanol phase is higher than 0.01 mole/L due to the analytical method limit of quantification. This deviation doesn't affect the quality or the results of the study.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.42
at the temperature of:
20 °C

Additional information